Charge Densities and Binding Energies in Hydrogen Chemisorption.
Abstract
The chemisorption of hydrogen on metals is treated by a self-consistent calculation. Three dimensional charge densities, interaction energies and dipole moments are given as a function of position of the hydrogen adatoms. The results are compared with experiment. The experimental picture of a dissociated adsorbate of small dipole moment is substantiated, and the calculations are consistent with the observation that hydrogen field desorbs together with the surface atoms of the substrate. (Author)
Document Details
- Document Type
- Technical Report
- Publication Date
- Mar 01, 1973
- Accession Number
- AD0758381
Entities
People
- John A. Smith
- See-chen Ying
- Walter Kohn
Organizations
- University of California, San Diego